=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 38 rings
        ring        int.           center             anis.    iso.
       TYR  2     0.840    -8.061  36.004  12.979  -99.200  -91.000
       TYR  9     0.840     1.651  21.875   1.375  -99.200  -91.000
       TYR 11     0.840    -3.325  17.269   6.270  -99.200  -91.000
       HIS 17     0.900    12.781  16.101   1.331  -99.200  -91.000
       PHE 18     1.000     9.619  20.203   7.205  -99.200  -91.000
       HIS 26     0.900     2.855  22.465  12.670  -99.200  -91.000
       HIS 27     0.900    -4.660  22.247   7.867  -99.200  -91.000
       HIS 30     0.900    -0.049  20.939  17.685  -99.200  -91.000
       HIS 31     0.900    -3.110  27.603  11.076  -99.200  -91.000
       TYR 34     0.840    -1.161  28.419  18.073  -99.200  -91.000
       PHE 48     1.000    -8.600  46.495  17.489  -99.200  -91.000
       HIS 78     0.900    -5.264  32.313  11.250  -99.200  -91.000
       HIS 81     0.900     1.338  27.446  13.461  -99.200  -91.000
       PHE 84     1.000     6.345  25.598   8.809  -99.200  -91.000
       TRP 85     1.040    -0.330  25.676   7.343  -99.200  -91.000
      TRP6 85     1.020     0.858  23.980   8.453  -99.200  -91.000
       PHE 106     1.000    21.665  37.102   4.802  -99.200  -91.000
       PHE 112     1.000    19.354  32.414   3.835  -99.200  -91.000
       PHE 116     1.000    16.094  30.117   8.335  -99.200  -91.000
       PHE 124     1.000    16.878  26.237  26.074  -99.200  -91.000
       TRP 128     1.040     7.047  30.460  14.652  -99.200  -91.000
      TRP6 128     1.020     6.237  29.491  12.663  -99.200  -91.000
       TRP 130     1.040    10.401  34.817  12.123  -99.200  -91.000
      TRP6 130     1.020     8.355  34.127  11.186  -99.200  -91.000
       PHE 161     1.000     6.626  40.722   3.549  -99.200  -91.000
       TRP 169     1.040     6.171  27.166  18.784  -99.200  -91.000
      TRP6 169     1.020     4.632  27.137  20.599  -99.200  -91.000
       HIS 171     0.900     3.585  22.847  17.438  -99.200  -91.000
       TYR 173     0.840    12.003  20.086  16.739  -99.200  -91.000
       PHE 174     1.000     8.441  13.936  20.853  -99.200  -91.000
       PHE 177     1.000    13.109  15.598  11.361  -99.200  -91.000
       TYR 184     0.840    11.694  21.027  11.748  -99.200  -91.000
       PHE 188     1.000    12.725  26.069   6.108  -99.200  -91.000
       TRP 189     1.040    18.878  24.575   4.660  -99.200  -91.000
      TRP6 189     1.020    18.163  26.828   4.593  -99.200  -91.000
       TRP 194     1.040    14.752  28.297  -1.887  -99.200  -91.000
      TRP6 194     1.020    15.286  29.955  -0.281  -99.200  -91.000
       PHE 201     1.000    13.897  40.450  -2.630  -99.200  -91.000